(2-aminophenyl)-nitro-phenylmethanol

C13H12N2O3 — CID 163711864

IUPAC(2-aminophenyl)-nitro-phenylmethanol
SMILESNc1ccccc1C(O)(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C13H12N2O3/c14-12-9-5-4-8-11(12)13(16,15(17)18)10-6-2-1-3-7-10/h1-9,16H,14H2
InChIKeyKJYNLUSCAMNWIJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.74
Rot. Bonds3

About (2-aminophenyl)-nitro-phenylmethanol

(2-aminophenyl)-nitro-phenylmethanol (PubChem CID 163711864) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-aminophenyl)-nitro-phenylmethanol.

Molecular Properties

Compound Name(2-aminophenyl)-nitro-phenylmethanol
PubChem CID163711864
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2-aminophenyl)-nitro-phenylmethanol
SMILESNc1ccccc1C(O)(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C13H12N2O3/c14-12-9-5-4-8-11(12)13(16,15(17)18)10-6-2-1-3-7-10/h1-9,16H,14H2
InChIKeyKJYNLUSCAMNWIJ-UHFFFAOYSA-N
XLogP1.74
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-nitropropan-2-yl)aniline
CID 88732473
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
CID 23624782
2-(2-amino-1-nitro-2-oxo-1-phenylethyl)benzoic acid
CID 87379039
1-[dinitro(phenyl)methyl]-2-nitrobenzene
CID 88645893
2-amino-2-nitro-1,2-diphenylethanone
CID 174848999
silver 2,2-dinitro-2-phenylacetate
CID 87172221
hydrazine;nitric acid;trifluoromethylbenzene
CID 174887362
(2R)-1-nitro-2-phenylpropan-2-ol
CID 101414779
2-nitro-1-phenylpropane-1,1-diol
CID 67839406
acetylene;2-nitroaniline
CID 142135116

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-nitro-phenylmethanol?
The IUPAC name of (2-aminophenyl)-nitro-phenylmethanol (CID 163711864) is (2-aminophenyl)-nitro-phenylmethanol.
What is the SMILES notation for (2-aminophenyl)-nitro-phenylmethanol?
The canonical SMILES for (2-aminophenyl)-nitro-phenylmethanol is Nc1ccccc1C(O)(c1ccccc1)[N+](=O)[O-].
What is the InChIKey of (2-aminophenyl)-nitro-phenylmethanol?
The InChIKey is KJYNLUSCAMNWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12-9-5-4-8-11(12)13(16,15(17)18)10-6-2-1-3-7-10/h1-9,16H,14H2.
What are the key properties of (2-aminophenyl)-nitro-phenylmethanol?
(2-aminophenyl)-nitro-phenylmethanol has a molecular weight of 244.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-nitro-phenylmethanol is sourced from PubChem (CID 163711864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).